Readme for the documentation of scientific data sets

Author Readme:				Ofial; Armin

Date of creation Readme:		2025-09-24
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Title of the scientific data set:	Kinetic measurements used to determine the nucleophilicity of pyridine-derived mesoionic N-heterocyclic olefins (py-mNHO)

Version:				1.0

Contact:				Ofial, Armin; Dept. Chemistry, LMU Muenchen, Germany; ofial@lmu.de

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Author 1 of scientific data set:	Andreas; Eitzinger
Author 1 Identifier:			https://orcid.org/0000-0002-3231-9716
Author 1 Affiliation:			Dept. Chemistry, LMU Muenchen, Germany
Author 1 Contribution:			Researcher, DataCurator

Author 2 of scientific data set:	Ofial; Armin R.
Author 2 Identifier:			https://orcid.org/0000-0002-9600-2793
Author 2 Affiliation::			Dept. Chemistry, LMU Muenchen, Germany
Author 2 Contribution:			ContactPerson, ProjectLeader, DataCurator

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Project name:				Nucleophilicity of pyridine-derived mesoionic N-heterocyclic olefins (py-mNHO)

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Abstract:				The kinetics of py-mNHO reactions with arylidene malonates (ArCH=C(CO2Et)2, reference electrophiles) and five other electrophiles (acrylonitrile, diphenylcarbodiimide, tert-butyl acrylate, ethyl cinnamate, cinnamonitrile) were investigated photometrically in THF at 293.15 K. 
					Folder and file names AEM-xxx refer to individual experiments and are identical to those in the Supporting Information files "OpenData_SI_py-mNHO_kinetics.docx/pdf/rtf".
					This Supplemental Material is part of an article published in Angewandte Chemie International Edition (doi.org/10.1002/anie.202318283).

Keywords:				kinetics, reactivity, nucleophiles, electrophiles, time-resolved spectroscopy

Methods for data collection: 		time-dependent photometric measurements
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File list:				The zip file contains txt files with absorbance vs. time data; exp files used for the k(obs) determination; pdf files with results of the k(obs) determination;  

File formats: 				*.txt (raw data), *.exp (evaluated data), *.pdf (evaluated data, Supporting Information), *.docx (Supporting Information), *.rtf (Supporting Information)

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Remarks: 				This research was funded in whole, or in part, by the Austrian Science Fund (FWF), project no. J-4592 (Erwin Schroedinger fellowship to A.E., Grant-DOI: 10.55776/J4592).